[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-hydroxy-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-hydroxy-5-pyrrolidinosulfonyl-benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O8S/c24-17-5-4-15(32(27,28)23-7-1-2-8-23)12-16(17)21(26)31-13-20(25)22-14-3-6-18-19(11-14)30-10-9-29-18/h3-6,11-12,24H,1-2,7-10,13H2,(H,22,25)